SCHEMBL4119630

SCHEMBL4119630

Cc1ccc(S(=O)(=O)c2cc(CCNC(=O)O)nn2-c2cccc(Cl)c2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.38
NAMPT P43490 7/20 0.36
P2RX7 Q99572 1/20 0.36
NOTUM Q6P988 1/20 0.35
MDM2 Q00987 2/20 0.35
ALDH1A1 P00352 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMT2A Q03164 1/20 0.33
RORC P51449 1/20 0.33
CCR9 P51686 1/20 0.33
RXRA P19793 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2B Q13224 1/20 0.33
EPHX2 P34913 1/20 0.32
PTGS2 P35354 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4126509 0.92 RIPK1 (0.37) RIPK1NAMPTNOTUMMDM2ALDH1A1
SCHEMBL4136915 0.91 NAMPT (0.37) NAMPTALDH1A1SMN1; SMN2RXRAGRIN1
SCHEMBL4135640 0.91 NAMPT (0.37) NAMPTP2RX7ALDH1A1SMN1; SMN2EPHX2
SCHEMBL4135868 0.91 NAMPT (0.39) NAMPTALDH1A1SMN1; SMN2KMT2AEPHX2
SCHEMBL3704869 0.90 P2RX7 (0.37) NAMPTP2RX7KMT2ARORCEPHX2
SCHEMBL4123666 0.89 ALDH1A1 (0.38) RIPK1NAMPTNOTUMMDM2ALDH1A1
SCHEMBL4125823 0.89 NAMPT (0.38) NAMPTP2RX7EPHX2PTGS2
SCHEMBL4130432 0.88 NAMPT (0.39) RIPK1NAMPTALDH1A1SMN1; SMN2EPHX2
SCHEMBL4129210 0.87 P2RX7 (0.37) NAMPTP2RX7ALDH1A1SMN1; SMN2PTGS2
SCHEMBL4118159 0.86 GAA (0.35) RIPK1NAMPTALDH1A1SMN1; SMN2KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2190822-B1 5-MEMBERED HETEROCYCLIC COMPOUNDS AS PROTON PUMP INHIBITORS TAKEDA PHARMACEUTICAL (JP) 2014-12-31 EP disclosed
US-20090156642-A1 5-Membered heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-06-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090156642-A1 5-Membered heterocyclic compound CEL, PGA5, COG5 RIPK1 4203/4885NAMPT 2129/4885P2RX7 1303/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.